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CHEBI:175300 - Dicaffeoylputrescine

ChEBI IDCHEBI:175300
ChEBI NameDicaffeoylputrescine
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SubmitterMetaboLights
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FormulaC22H24N2O6
Net Charge0
Average Mass412.442
Monoisotopic Mass412.16344
SMILESO=C(/C=C/c1ccc(O)c(O)c1)NCCCCNC(=O)/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C22H24N2O6/c25-17-7-3-15(13-19(17)27)5-9-21(29)23-11-1-2-12-24-22(30)10-6-16-4-8-18(26)20(28)14-16/h3-10,13-14,25-28H,1-2,11-12H2,(H,23,29)(H,24,30)/b9-5+,10-6+
InChIKeyWKIWXOKCKNMLIX-NXZHAISVSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Dicaffeoylputrescine (CHEBI:175300) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
(E)-3-(3,4-dihydroxyphenyl)-N-[4-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide
Manual XrefsDatabases
9713619ChemSpider
HMDB0033467HMDB